(4aR,10aS)-5,8-dihydroxy-6-methoxy-1,1-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-4a-carbaldehyde
| Internal ID | b55c466b-f76d-4092-964c-a986485bdf64 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4aR,10aS)-5,8-dihydroxy-6-methoxy-1,1-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-4a-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H28O5/c1-11(2)14-17(24)15-12(23)9-13-20(3,4)7-6-8-21(13,10-22)16(15)18(25)19(14)26-5/h10-11,13,24-25H,6-9H2,1-5H3/t13-,21+/m0/s1 |
| InChI Key | HQAUIUZXOVTQKQ-YEJXKQKISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H28O5 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.51% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.43% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.17% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.08% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.30% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.65% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.25% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.04% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.29% | 93.99% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.50% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.66% | 99.23% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.70% | 97.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.37% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.28% | 91.19% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.86% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.66% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.58% | 96.77% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.45% | 96.21% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.84% | 93.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.67% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.23% | 92.62% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.86% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.70% | 82.69% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.52% | 94.08% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.35% | 99.15% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.21% | 91.07% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.84% | 92.68% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Salvia coulteri |
| PubChem | 101665854 |
| LOTUS | LTS0125934 |
| wikiData | Q105032142 |